ChemDB: Chemical Search
Download
Chemical ID: 6673949
Chemical ID:
6673949
Name [?]:
1-(2-bromoethoxysulfonyl)-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)OCCBr
InChi [?]:
InChI=1/C9H11BrO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,13,12,2,5,14,9,10,11,8/E:(2,3)(4,5)(11,12)/CRV:14.6/rA:14nCCCCCCCSOOOCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11BrO3S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.37882 |
Area: | 387.65 |
Solvation: | -2.31242 |
Coulombic: | -8.70879 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.152 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.81 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|